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"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
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{
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{
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"structure_string": "Zn1 Cu2 Sn1 Te4\n1.0\n6.182036 -0.000000 -0.000000\n-0.000000 6.182036 -0.000000\n-3.091018 -3.091018 6.159803\nZn Cu Sn Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.898752 0.898752 0.274360 Te\n0.375609 0.375609 0.274360 Te\n0.101248 0.624391 0.725640 Te\n0.624391 0.101248 0.725640 Te\n",
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{
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"updated_at": "2022-09-04T14:37:32.810277Z",
"structure_string": "Sm4 Zn4 Rh4\n1.0\n4.095881 -0.000000 0.000000\n-0.000000 7.028843 0.000000\n0.000000 0.000000 8.177264\nSm Zn Rh\n4 4 4\ndirect\n0.250000 0.537401 0.186455 Sm\n0.750000 0.462599 0.813544 Sm\n0.250000 0.037401 0.313544 Sm\n0.750000 0.962599 0.686455 Sm\n0.250000 0.139352 0.935104 Zn\n0.750000 0.860648 0.064896 Zn\n0.250000 0.639352 0.564895 Zn\n0.750000 0.360648 0.435104 Zn\n0.750000 0.742899 0.380454 Rh\n0.250000 0.257100 0.619546 Rh\n0.750000 0.242899 0.119546 Rh\n0.250000 0.757100 0.880454 Rh\n",
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{
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"updated_at": "2022-09-04T14:35:57.329539Z",
"structure_string": "Ba4 Ti1 Mn1\n1.0\n-0.000000 4.900883 4.900883\n4.900883 0.000000 4.900883\n4.900883 4.900883 0.000000\nBa Ti Mn\n4 1 1\ndirect\n0.125764 0.624745 0.624745 Ba\n0.624745 0.624745 0.624745 Ba\n0.624745 0.125764 0.624745 Ba\n0.624745 0.624745 0.125764 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Mn\n",
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{
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"created_at": "2022-09-04T14:36:02.232540Z",
"updated_at": "2022-09-04T14:36:02.232572Z",
"structure_string": "Li2 Co6 O4 F12\n1.0\n0.000000 5.315623 0.040008\n4.461134 0.000000 0.000000\n0.000000 -1.118963 -9.936394\nLi Co O F\n2 6 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 -0.000000 Co\n0.271671 0.978750 0.755374 Co\n0.728329 0.478751 0.744625 Co\n0.500000 0.000000 0.500000 Co\n0.271670 0.521249 0.255374 Co\n0.728329 0.021249 0.244625 Co\n0.478509 0.820722 0.325446 O\n0.521490 0.320723 0.174554 O\n0.478509 0.679277 0.825446 O\n0.521491 0.179277 0.674553 O\n0.233425 0.701309 0.066702 F\n0.279010 0.201780 0.928608 F\n0.766575 0.298690 0.933298 F\n0.974512 0.785704 0.818816 F\n0.025489 0.285705 0.681184 F\n0.233425 0.798690 0.566701 F\n0.720991 0.701779 0.571391 F\n0.279009 0.298220 0.428608 F\n0.766575 0.201310 0.433298 F\n0.974511 0.714294 0.318816 F\n0.025488 0.214295 0.181184 F\n0.720990 0.798220 0.071391 F\n",
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"formula_full": "Li2 Co6 O4 F12",
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{
"id": "jvasp-63928",
"created_at": "2022-09-04T14:36:00.021414Z",
"updated_at": "2022-09-04T14:36:00.021442Z",
"structure_string": "Ba4 Mg1 Mo1\n1.0\n0.000000 4.900914 4.900914\n4.900914 0.000000 4.900914\n4.900914 4.900914 -0.000000\nBa Mg Mo\n4 1 1\ndirect\n0.122280 0.625906 0.625906 Ba\n0.625906 0.625906 0.625906 Ba\n0.625906 0.122280 0.625906 Ba\n0.625906 0.625906 0.122280 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "jvasp-53234",
"created_at": "2022-09-04T14:36:36.522387Z",
"updated_at": "2022-09-04T14:36:36.522412Z",
"structure_string": "Pr3 Tl3 Pd3\n1.0\n4.605654 -7.977226 -0.000000\n4.605654 7.977226 0.000000\n0.000000 -0.000000 3.204187\nPr Tl Pd\n3 3 3\ndirect\n0.380422 -0.000000 0.500000 Pr\n0.619578 0.619578 0.500000 Pr\n-0.000000 0.380422 0.500000 Pr\n0.706919 -0.000000 0.500000 Tl\n0.293081 0.293081 0.500000 Tl\n-0.000000 0.706919 0.500000 Tl\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:17.512445Z",
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"structure_string": "H10 C14 S1\n1.0\n3.788712 -0.026151 0.643171\n1.001640 5.689407 0.199728\n0.086976 -0.038921 10.924244\nH C S\n10 14 1\ndirect\n0.150786 0.873011 0.259186 H\n0.059515 0.919231 0.679745 H\n0.534464 0.828464 0.089101 H\n0.163219 0.705575 0.068847 H\n0.412352 0.313171 0.900678 H\n0.237674 0.190305 0.545911 H\n0.530801 0.141218 0.326514 H\n0.658304 0.267952 0.677719 H\n0.822631 0.960772 0.903449 H\n0.871365 0.921097 0.476958 H\n0.781998 0.808967 0.854168 C\n0.018215 0.749541 0.444764 C\n0.910842 0.787929 0.726906 C\n0.177548 0.721079 0.320540 C\n0.035955 0.560523 0.528875 C\n0.609093 0.636480 0.919540 C\n0.700266 0.418691 0.727196 C\n0.371981 0.501855 0.275438 C\n0.563972 0.442828 0.853404 C\n0.218930 0.340036 0.482712 C\n0.554879 0.469773 0.145699 C\n0.385686 0.312022 0.360019 C\n0.458730 0.668143 0.056168 C\n0.877412 0.590481 0.661425 C\n0.856176 0.235039 0.100751 S\n",
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"created_at": "2022-09-04T14:35:46.591822Z",
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"structure_string": "Cd2 Os1 C6 N6\n1.0\n6.381253 0.000000 0.000000\n-3.190626 5.526327 0.000000\n0.000000 0.000000 6.676646\nCd Os C N\n2 1 6 6\ndirect\n0.333333 0.666667 0.500073 Cd\n0.666667 0.333333 0.499928 Cd\n0.000000 0.000000 0.000000 Os\n0.999958 0.748627 0.816273 C\n0.251373 0.251332 0.816273 C\n0.748668 0.000042 0.816273 C\n0.251331 0.999959 0.183728 C\n0.748626 0.748669 0.183728 C\n0.000042 0.251374 0.183728 C\n0.612035 0.612082 0.303350 N\n0.000046 0.387965 0.303350 N\n0.612081 0.000046 0.696651 N\n0.387918 0.999955 0.303350 N\n0.999953 0.612036 0.696651 N\n0.387964 0.387919 0.696651 N\n",
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"structure_string": "Ba2 H8 O12\n1.0\n6.029566 -0.278567 0.124553\n-0.722046 5.989117 -0.026641\n-0.195366 -0.619690 6.553959\nBa H O\n2 8 12\ndirect\n0.145465 0.809812 0.259600 Ba\n0.876915 0.206802 0.816626 Ba\n0.905733 0.660367 0.709077 H\n0.638567 0.056873 0.227247 H\n0.637712 0.728185 0.991160 H\n0.540666 0.126272 0.519181 H\n0.374660 0.304991 0.089816 H\n0.669474 0.657596 0.434910 H\n0.074648 0.356381 0.387695 H\n0.345271 0.964552 0.786505 H\n0.545783 0.109079 0.105893 O\n0.871367 0.541731 0.545586 O\n0.568135 0.770055 0.418484 O\n0.243972 0.387879 0.084215 O\n0.440454 0.210169 0.611215 O\n0.939162 0.759982 0.875939 O\n0.731535 0.983323 0.407786 O\n0.068822 0.236199 0.188972 O\n0.264373 0.026287 0.667795 O\n0.094516 0.465928 0.526853 O\n0.764248 0.631453 -0.002053 O\n0.478718 0.900499 0.962709 O\n",
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"structure_string": "Ba4 Mn1 Cu1\n1.0\n0.000000 4.901110 4.901110\n4.901110 0.000000 4.901110\n4.901110 4.901110 0.000000\nBa Mn Cu\n4 1 1\ndirect\n0.124723 0.625093 0.625093 Ba\n0.625093 0.625093 0.625093 Ba\n0.625093 0.124723 0.625093 Ba\n0.625093 0.625093 0.124723 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cu\n",
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}